3-methylbut-2-enyl 4-(1,3-benzodioxol-5-yl)-4-oxidanyl-but-2-ynoate

Systemtic Name: 3-methylbut-2-enyl 4-(1,3-benzodioxol-5-yl)-4-oxidanyl-but-2-ynoate Openeye Name: 3-methylbut-2-enyl 4-(1,3-benzodioxol-5-yl)-4-hydroxy-but-2-ynoate CAS Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-2-butynoic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl 4-(1,3-benzodioxol-5-yl)-4-hydroxybut-2-ynoate Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-but-2-ynoic acid 3-methylbut-2-enyl ester Formula: C16H16O5 MolecularWeight: 288.29524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C#CC(C1=CC2=C(C=C1)OCO2)O)C

Isomeric SMILES

CC(=CCOC(=O)C#CC(C1=CC2=C(C=C1)OCO2)O)C

InChI

InChI=1S/C16H16O5/c1-11(2)7-8-19-16(18)6-4-13(17)12-3-5-14-15(9-12)21-10-20-14/h3,5,7,9,13,17H,8,10H2,1-2H3